ChemSpider 2D Image | PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID | C16H30N2O6

PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID

  • Molecular FormulaC16H30N2O6
  • Average mass346.419 Da
  • Monoisotopic mass346.210388 Da
  • ChemSpider ID25060029

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R)-3-Hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl pivalate [ACD/IUPAC Name]
(3R)-3-Hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutylpivalat [German] [ACD/IUPAC Name]
PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID
Pivalate de (3R)-3-hydroxy-4-({3-[(2-hydroxyéthyl)amino]-3-oxopropyl}amino)-2,2-diméthyl-4-oxobutyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (3R)-3-hydroxy-4-[[3-[(2-hydroxyethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl ester [ACD/Index Name]
(3R)-3-hydroxy-3-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropyl 2,2-dimethylpropanoate
OPI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 586.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction: 1.493
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.31
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.31
Polar Surface Area: 125 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 303.5±3.0 cm3

Click to predict properties on the Chemicalize site


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